HRID2334917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID28810

2-Chlorobenzenemethanol

C7H7ClO

结构：Cn1c(=O)[nH]c2nn(Cc3cccc4ccccc34)c(-c3cccc(C(=O)O)c3)c2c1=O

HCID136334115

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc2n(Cc2ccccc2Cl)c1=O

HCID58981007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99612c12d1d34112bfe94399490e20aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:1][n:2]1[c:3](=[O:32])[nH:4][c:5]2[c:6]([c:7]1=[O:8])[c:9](-[c:23]1[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31]1)[n:10]([CH2:12][c:13]1[cH:14][cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]13)[n:11]2.[Cl:52][c:53]1[c:54]([CH2:59][OH:60])[cH:55][cH:56][cH:57][cH:58]1.[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH3:1][n:2]1[c:3](=[O:32])[n:4]([CH2:59][c:54]2[c:53]([Cl:52])[cH:58][cH:57][cH:56][cH:55]2)[c:5]2[c:6]([c:7]1=[O:8])[c:9](-[c:23]1[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31]1)[n:10]([CH2:12][c:13]1[cH:14][cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]13)[n:11]2